Compound Detail
CHEMBL544813
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Basic Information
| ChEMBL ID | CHEMBL544813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQQAUPQSPJSFEB-KQGICBIGSA-N |
| Parent Compound | CHEMBL1193413 |
| Active Moiety | CHEMBL1193413 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
2.40
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.82 | 7.4775 | 1.5 | 4 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1.5 | nM | 8.82 | In vitro inhibition of collagen stimulated platelet aggregation in human whole b... | 2536438 |
| Homo sapiens | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibition of collagen stimulated platelet aggregation in human thrombo... | 2536438 |
| Phosphodiesterase 3 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of phosphodiesterase 3 from human platelets at 1*10e-7-1*10e-4 M | 2536438 |
| Homo sapiens | IC50 | = | 90.0 | nM | 7.05 | In vitro inhibition of ADP stimulated platelet aggregation in human whole blood | 2536438 |
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Inhibition of phosphodiesterase 3 from guinea pig cardiac tissue at 1*10e-7-1*10... | 2536438 |
| Homo sapiens | IC50 | = | 300.0 | nM | 6.52 | In vitro inhibition of ADP stimulated platelet aggregation in human thrombocyte ... | 2536438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2536438 | 10.1021/jm00122a011 | Canis familiaris | 42 |
| 2536438 | 10.1021/jm00122a011 | Homo sapiens | 4 |
| 2536438 | 10.1021/jm00122a011 | Unchecked | 2 |
| 2536438 | 10.1021/jm00122a011 | No relevant target | 1 |
| 2536438 | 10.1021/jm00122a011 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine